Computational Chemistry

  • What it is

    Mobility experience with a research focus

  • Who it’s for

    Master students involved in the final research; PhD sandwich; Post Doc

Department

Industrial Chemistry “Toso Montanari”

Main research activities/topics/projects

Our research activity involves application and development of computational tools for fundamental understanding of chemical, electrochemical and photochemical processes, with a focus on catalysis, biology, and nanosystems. The research work involves strong collaboration with experimental groups, aiming at a rigorous interpretation of physico-chemical properties and experimental spectroscopic evidences, for in silico design of new molecules and materials. Most recent projects in which candidates can be easily integrated involve the i) development of AI-based inverse design of molecules for applications in catalysis, photocatalysis and drug discovery, ii) characterization of hybrid organic/inorganic systems for polariton chemistry applications and iii) modeling of 2D materials and electrocatalytic surfaces.

Working language

Italian and English

Special entry requirements

Basic knowledge of python language or quantum chemistry software or AI-machine learning algorithms are desirable (not mandatory)

Duration in months (min-max)

Master Research: 6-12

PhD sandwich: 6-12

Post Doc: 6-12

Contacts

Main scientific contact person

Prof. Ivan Rivalta

+390512093617

Write an e-mail

ivanobrix